CHEBI:199837 - DHQ7

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name DHQ7
ChEBI ID CHEBI:199837
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C28H40N2O8
Net Charge 0
Average Mass 532.634
Monoisotopic Mass 532.27847
InChI InChI=1S/C28H40N2O8/c1-15-8-7-9-22(36-5)26(38-28(29)35)18(4)10-16(2)25(33)23(37-6)11-17(3)24(32)19-12-20(30-27(15)34)14-21(31)13-19/h8,10-14,16-17,22,24-26,31-33H,7,9H2,1-6H3,(H2,29,35)(H,30,34)/b15-8-,18-10-,23-11+/t16-,17-,22-,24+,25+,26-/m0/s1
InChIKey VOPKEVWEROGIJO-TWUFDOAGSA-N
SMILES O=C1NC2=CC(O)=CC(=C2)[C@H](O)[C@H](C=C(OC)[C@H](O)[C@H](C=C([C@@H]([C@H](CCC=C1C)OC)OC(=O)N)C)C)C
Metabolite of Species Details
Streptomyces hygroscopicus (NCBI:txid1912) See: PubMed
ChEBI Ontology
Outgoing DHQ7 (CHEBI:199837) is a phenols (CHEBI:33853)
IUPAC Name
[(4Z,8S,9S,10Z,12S,13R,14E,16S,17R)-13,17,20-trihydroxy-8,14-dimethoxy-4,10,12,16-tetramethyl-3-oxo-2-azabicyclo[16.3.1]docosa-1(21),4,10,14,18(22),19-hexaen-9-yl] carbamate
Manual Xref Database
78440793 ChemSpider
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